• ir (array
  • source (object):

    • type (experiment

      simulation

      literature)

    • name (str): e.g., aiidalab.materialscloud.org
    • uuid (str): e.g., the UUID of the node of the object in AiiDAlab or the UUID of the data in some other database
    • doi (str)
    • url (str)
  • conditions (string): For example, grinded in KBr
  • description (html)
  • experiment (string): For example, XRD
  • instrument (object):
    • manufacturer (string)
    • model (string)
    • serialNumber (string)
    • software (string)
  • jcamp (object):
    • filename
  • misc (object)
  • pdf (object):
    • filename
  • peak (array
    • assignment (string)
    • kind (“s,m,w”): strong, medium, weak
    • wavenumber (number, cm-1)
    • absorbance (number)
    • transmittance (number, in percent)
    • wavelength (unit)
  • procedure (html)
  • remarks (html)
  • software
  • solvent (string): For example, if measured in solution between two KBr windows